CID 100964

59129-79-2

Structural Information

Molecular Formula
C36H30N2O3
SMILES
CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)NC7=CC=CC=C7)C
InChI
InChI=1S/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3
InChIKey
IXHBSOXJLNEOPY-UHFFFAOYSA-N
Compound name
2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2110
Patents

538.22565 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.23293 237.2
[M+Na]+ 561.21487 255.6
[M+NH4]+ 556.25947 247.8
[M+K]+ 577.18881 243.7
[M-H]- 537.21837 251.4
[M+Na-2H]- 559.20032 246.5
[M]+ 538.22510 244.6
[M]- 538.22620 244.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe